SCHEMBL25852669

SCHEMBL25852669

Cc1ccc(C2CCN(CC(=O)NC(C)C)C2)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.59
▸ DRD4 P21917 4/20 0.56
▸ DRD2 P14416 3/20 0.56
▸ DRD3 P35462 3/20 0.56
▸ RAB9A P51151 4/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ TP53 P04637 3/20 0.50
▸ TSHR P16473 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ TLR9 Q9NR96 1/20 0.48
▸ TLR8 Q9NR97 1/20 0.48
▸ TLR7 Q9NYK1 1/20 0.48
▸ MAPT P10636 5/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ HPGD P15428 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ CHRM5 P08912 1/20 0.46
▸ CHRM3 P20309 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24450334 0.89 HTT (0.73) HTTDRD4DRD2DRD3RAB9A
SCHEMBL20666106 0.75 HTT (0.58) HTTNPC1SMN1; SMN2ALDH1A1CHRM5
SCHEMBL14544188 0.75 SLC18A3 (0.45) HTTDRD4DRD2DRD3RAB9A
SCHEMBL12082132 0.73 GFER (0.57) HTTDRD4TSHRSMN1; SMN2MAPT
SCHEMBL24112340 0.73 DRD2 (0.55) HTTDRD4DRD2DRD3RAB9A
SCHEMBL25760664 0.73 HTT (0.53) HTTDRD4DRD2DRD3ALDH1A1
SCHEMBL14544199 0.73 DRD2 (0.49) HTTDRD4DRD2DRD3RAB9A
SCHEMBL23862112 0.71 CHRM5 (0.62) HTTNPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL7720993 0.71 CHRM5 (0.62) HTTNPC1SMN1; SMN2ALDH1A1CHRM5
SCHEMBL24019673 0.71 HTT (0.54) HTTDRD4DRD2DRD3RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV HTT 2737/4885DRD4 4772/4885DRD2 4609/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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